ethyl 2-[[5-[(E)-1-oxidanyl-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(E)-1-oxidanyl-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(E)-1-hydroxy-3-oxo-3-(2-thienyl)prop-1-enyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(E)-1-hydroxy-3-oxo-3-thiophen-2-ylprop-1-enyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(E)-1-hydroxy-3-oxo-3-thiophen-2-ylprop-1-enyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(E)-1-hydroxy-3-keto-3-(2-thienyl)prop-1-enyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C13H13N3O4S2 MolecularWeight: 339.39002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)C(=CC(=O)C2=CC=CS2)O

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)/C(=C\C(=O)C2=CC=CS2)/O

InChI

InChI=1S/C13H13N3O4S2/c1-2-20-11(19)7-22-13-14-12(15-16-13)9(18)6-8(17)10-4-3-5-21-10/h3-6,18H,2,7H2,1H3,(H,14,15,16)/b9-6+